Gaussian 16 GINC-A4 CLIN7 IRC 5 ES64L-G16RevC.01 23-Apr-2026 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 40 40 57 57 350 (6D, 7F) 6-31G(d,p) 114 114 114 114 114 114 114 114 114 114 114 114 114 114 114 114 114 114 114 114 114 114 114 114 114 114 114 114 114 114 114 114 114 114 114 C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] C1[X(C15H25)] RmPW1PW91 6-31G(d,p) FOpt # opt=(maxstep=5,notrust) freq=noraman mpw1pw91/6-31g(d,p) 180.16049999999996 1 1 AuxInfo=1/0/N:1;5;6;7;8;10;11;12;15;16;17;20;25;31;33;2;3;4;9;13;14;18;19;21;22;23;24;26;27;28;29;30;32;34;35;36;37;38;39;40/rA:40nC0H0H0H0C0C0C0C0H0C0C0C0H0H0C0C0C0H0H0C0H0H0H0H0C0H0H0H0H0H0C0H0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.0918,-.3595,-1.7358;-3.5253,.5723,-2.1094;-2.4858,-.7917,-2.5381;-3.9172,-1.0468,-1.5327;-2.2598,-.113,-.4786;-1.5788,-1.4041,.0126;-.3814,-.9369,.845;.7983,-1.9172,.836;1.3885,-1.908,1.7724;1.7164,-1.4614,-.2135;1.3325,-.1587,-.7273;2.4546,.951,-.7128;3.3415,.5972,-.1799;2.7624,1.2228,-1.7221;1.7781,2.0898,.057;.8087,1.3953,1.0173;-1.0547,.8223,-.7608;-.7877,.767,-1.8219;-1.313,1.8667,-.5727;2.884,-2.2114,-.6765;3.6814,-2.0227,.0619;2.7222,-3.2912,-.6697;3.2574,-1.866,-1.641;-2.2576,-2.0549,.5702;-3.1571,.4743,.6164;-3.5936,1.4205,.2866;-2.6153,.6705,1.5446;-3.9797,-.2066,.8491;1.0725,-.3605,-1.7849;.5403,-2.9779,.7126;.1276,.3365,.1148;1.4252,.8383,1.7427;-.0899,2.3313,1.8075;-.7563,1.7825,2.4773;.5139,2.9978,2.4275;-.7052,2.9579,1.1581;1.2205,2.733,-.6317;2.5101,2.7147,.5742;-1.2261,-1.9794,-.8548;-.6884,-.7109,1.8691; g16 Output=/home/clin7/P02/QM/dyotropic/7-5/CL_P02_sesqui_IRC5.log nprocshared=16 mem=32GB # opt=(maxstep=5,notrust) freq=noraman mpw1pw91/6-31g(d,p) 1/8=5,9=1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=1,6=6,7=101,11=2,25=1,30=1,71=1,74=-7/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/8=5,9=1,18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=1,6=6,7=101,11=2,25=1,30=1,71=1,74=-7/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/8=5,9=1,18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 IRC 5 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 1 1 1 1 5 5 5 6 6 6 7 7 7 8 8 8 10 10 11 11 11 12 12 12 15 15 15 16 16 16 17 17 17 20 20 20 25 25 25 33 33 33 2 3 4 5 6 17 25 7 24 39 8 31 40 9 10 30 11 20 12 29 31 13 14 15 16 37 38 31 32 33 18 19 31 21 22 23 26 27 28 34 35 36 1.0935 1.0944 1.0931 1.5276 1.5401 1.5514 1.5327 1.5313 1.0934 1.099 1.5338 1.5537 1.0928 1.1069 1.467 1.0985 1.452 1.463 1.5782 1.1076 1.5512 1.0935 1.0896 1.5321 1.5311 1.0949 1.0926 1.549 1.103 1.5192 1.0956 1.0922 1.5494 1.1031 1.0919 1.0903 1.093 1.0925 1.0929 1.0928 1.0923 1.0922 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 2 2 2 3 3 4 1 1 1 6 6 17 5 5 5 7 7 24 6 6 6 8 8 31 7 7 7 9 9 10 8 8 11 10 10 10 12 12 29 11 11 11 13 13 14 12 12 12 16 16 37 15 15 15 31 31 32 5 5 5 18 18 19 10 10 10 21 21 22 5 5 5 26 26 27 7 7 7 11 11 16 16 16 16 34 34 35 1 1 1 1 1 1 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 20 20 20 20 20 20 25 25 25 25 25 25 31 31 31 31 31 31 33 33 33 33 33 33 3 4 5 4 5 5 6 17 25 17 25 25 7 24 39 24 39 39 8 31 40 31 40 40 9 10 30 10 30 30 11 20 20 12 29 31 29 31 31 13 14 15 14 15 15 16 37 38 37 38 38 31 32 33 32 33 33 18 19 31 19 31 31 21 22 23 22 23 23 26 27 28 27 28 28 11 16 17 16 17 17 34 35 36 35 36 36 107.7924 107.4564 111.0743 107.8222 111.4338 111.085 111.5969 111.7563 109.3267 102.7054 110.6243 110.7128 105.2733 112.7794 109.2105 112.9435 109.7388 106.8705 113.7834 104.5216 110.6589 105.6132 110.7167 111.2812 113.5721 106.6726 115.923 105.5974 103.1914 111.5056 111.498 124.5132 123.984 116.0781 103.6772 107.439 107.685 108.8336 113.2152 110.7125 111.5787 102.3167 107.6418 110.7142 113.8698 104.9234 110.2155 111.5441 109.7836 112.7463 107.6333 102.8871 106.7202 114.9154 106.4842 117.6507 107.4366 109.5756 111.1922 107.5145 105.8254 110.2159 112.5164 106.1033 112.7545 113.0067 105.7885 106.8811 111.6896 110.4852 112.6776 110.7345 107.3911 107.6372 107.7117 104.3533 115.501 105.8177 101.1265 112.7065 116.7756 111.725 110.1379 112.1773 107.192 107.998 107.3848 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 2 2 2 3 3 3 4 4 4 1 1 1 17 17 17 25 25 25 1 1 1 6 6 6 25 25 25 1 1 1 6 6 6 17 17 17 5 5 5 24 24 24 39 39 39 6 6 6 31 31 31 40 40 40 6 6 6 8 8 8 40 40 40 7 7 9 9 30 30 8 8 8 20 20 20 8 8 8 11 11 11 10 10 10 29 29 29 31 31 31 10 10 10 12 12 12 29 29 29 11 11 11 13 13 13 14 14 14 12 12 12 37 37 37 38 38 38 15 15 15 32 32 32 33 33 33 15 15 15 31 31 31 32 32 32 5 5 5 18 18 18 19 19 19 1 1 1 1 1 1 1 1 1 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 17 17 17 17 17 17 17 17 17 25 25 25 25 25 25 25 25 25 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 31 31 31 31 31 31 31 31 31 10 10 10 10 10 10 11 11 11 11 11 11 20 20 20 20 20 20 12 12 12 12 12 12 12 12 12 31 31 31 31 31 31 31 31 31 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 31 31 31 31 31 31 31 31 31 33 33 33 33 33 33 33 33 33 31 31 31 31 31 31 31 31 31 6 17 25 6 17 25 6 17 25 7 24 39 7 24 39 7 24 39 18 19 31 18 19 31 18 19 31 26 27 28 26 27 28 26 27 28 8 31 40 8 31 40 8 31 40 9 10 30 9 10 30 9 10 30 11 16 17 11 16 17 11 16 17 11 20 11 20 11 20 12 29 31 12 29 31 21 22 23 21 22 23 13 14 15 13 14 15 13 14 15 7 16 17 7 16 17 7 16 17 16 37 38 16 37 38 16 37 38 31 32 33 31 32 33 31 32 33 7 11 17 7 11 17 7 11 17 34 35 36 34 35 36 34 35 36 7 11 16 7 11 16 7 11 16 -176.7918 -62.4191 60.5045 -56.5877 57.7851 -179.2914 63.6616 178.0344 -59.0421 156.9792 -79.4509 39.2113 37.1178 160.6876 -80.6502 -81.0623 42.5076 161.1698 -24.4382 92.1966 -144.2272 95.3126 -148.0525 -24.4764 -146.5698 -29.9349 93.6412 -60.0006 179.8731 59.1606 176.7173 56.591 -64.1215 63.5418 -56.5845 -177.2971 -150.4262 -35.7193 84.1717 86.1085 -159.1846 -39.2936 -33.0158 81.6911 -158.4179 -148.8867 95.207 -29.6177 97.0548 -18.8515 -143.6762 -23.5153 -139.4216 95.7537 -99.3729 150.5825 19.7461 20.9541 -89.0906 140.073 141.1546 31.1099 -99.7265 9.227 -171.5439 -111.9054 67.3236 136.7084 -44.0626 126.3878 -115.7604 4.3507 -52.8461 65.0058 -174.8831 -80.5098 34.8429 162.6857 98.6251 -146.0222 -18.1794 -7.6922 112.1738 -125.7015 -123.3097 -3.4438 118.6809 113.6042 -126.5298 -4.4051 -15.8006 104.4138 -130.1358 -142.2408 -22.0264 103.424 98.0537 -141.7319 -16.2815 29.9114 -88.215 152.2842 -88.0967 153.7769 34.2761 150.4602 32.3337 -87.1671 -45.1658 66.7141 -174.3047 73.2529 -174.8672 -55.886 -166.755 -54.8751 64.1061 152.15 40.204 -82.4724 40.0957 -71.8502 165.4733 -80.4229 167.6312 44.9547 -179.7912 -60.7785 58.769 58.8102 177.823 -62.6296 -61.2107 57.8021 177.3495 3.1248 116.5687 -126.9786 -116.256 -2.8121 113.6407 125.8884 -120.6677 -4.215 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 350 A 350 A 595 350 1120.2957414410 40 1.00e+00 60 F Berny optimization. local minimum Step number 34 out of a maximum of 240 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00083 0.00168 0.00273 0.00303 0.00366 0.00395 0.00454 0.00505 0.00736 0.01211 0.02048 0.02117 0.02329 0.02746 0.03383 0.03526 0.04018 0.04180 0.04351 0.04403 0.04523 0.04634 0.04727 0.04908 0.05026 0.05097 0.05174 0.05306 0.05395 0.05462 0.05477 0.05559 0.05577 0.05619 0.05679 0.05691 0.05810 0.06294 0.06445 0.06550 0.06858 0.07051 0.07112 0.07169 0.07568 0.07770 0.07850 0.08529 0.08919 0.09270 0.09454 0.09784 0.10096 0.12755 0.13173 0.14124 0.15182 0.15277 0.15950 0.15987 0.16000 0.16007 0.16011 0.16029 0.16045 0.16116 0.16120 0.16333 0.16470 0.17356 0.19007 0.20031 0.20486 0.21864 0.23751 0.25695 0.26700 0.27163 0.27581 0.27910 0.28220 0.28626 0.29232 0.29678 0.30081 0.30545 0.32306 0.32792 0.33241 0.33352 0.33559 0.33789 0.33853 0.34176 0.34247 0.34310 0.34405 0.34429 0.34442 0.34461 0.34463 0.34491 0.34493 0.34522 0.34542 0.34584 0.34607 0.34694 0.34751 0.34768 0.34882 0.35209 0.35882 0.38797 -1.98407391e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 2.06614 2.06825 2.06594 2.88687 2.90855 2.93239 2.89685 2.89150 2.06621 2.07899 2.89540 2.94756 2.06420 2.09348 2.77274 2.06935 2.73440 2.75880 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0.40367 -2.72912 -1.65038 1.50002 2.66059 -0.47219 1.86144 -2.39557 -0.15888 -1.28906 0.73712 2.97381 -0.55676 1.43804 -2.80571 2.59489 -1.69349 0.34595 -0.35248 1.74254 -2.39601 -2.43845 -0.34343 1.80120 1.66833 -2.51983 -0.37520 -0.14600 1.93114 -2.12151 -2.15688 -0.07973 2.15081 2.04999 -2.15605 0.07449 0.69790 -1.36600 2.82960 -1.36458 2.85471 0.76712 2.77833 0.71443 -1.37316 -0.77956 1.17994 -3.04160 1.28294 -3.04074 -0.97910 -2.89209 -0.93259 1.12906 2.45693 0.50944 -1.66824 0.49425 -1.45324 2.65227 -1.60329 2.73240 0.55473 3.09726 -1.10697 0.97368 0.96121 3.04017 -1.16237 -1.12938 0.94958 3.03023 0.05877 2.01622 -2.17390 -2.02038 -0.06294 2.03014 2.20418 -2.12156 -0.02849 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000008 0.000001 0.000452 0.000078 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.144577e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 1 1 1 1 5 5 5 6 6 6 7 7 7 8 8 8 10 10 11 11 11 12 12 12 15 15 15 16 16 16 17 17 17 20 20 20 25 25 25 33 33 33 2 3 4 5 6 17 25 7 24 39 8 31 40 9 10 30 11 20 12 29 31 13 14 15 16 37 38 31 32 33 18 19 31 21 22 23 26 27 28 34 35 36 1.0934 1.0945 1.0932 1.5277 1.5391 1.5518 1.5329 1.5301 1.0934 1.1002 1.5322 1.5598 1.0923 1.1078 1.4673 1.0951 1.447 1.4599 1.5971 1.0963 1.5611 1.0947 1.0899 1.5231 1.5287 1.0954 1.093 1.5581 1.1011 1.5206 1.0955 1.0915 1.5499 1.0925 1.1043 1.0899 1.0931 1.0931 1.0934 1.092 1.0924 1.0924 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 2 2 2 3 3 4 1 1 1 6 6 17 5 5 5 7 7 24 6 6 6 8 8 31 7 7 7 9 9 10 8 8 11 10 10 10 12 12 29 11 11 11 13 13 14 12 12 12 16 16 37 15 15 15 31 31 32 5 5 5 18 18 19 10 10 10 21 21 22 5 5 5 26 26 27 7 7 7 11 11 16 16 16 16 34 34 35 1 1 1 1 1 1 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 20 20 20 20 20 20 25 25 25 25 25 25 31 31 31 31 31 31 33 33 33 33 33 33 3 4 5 4 5 5 6 17 25 17 25 25 7 24 39 24 39 39 8 31 40 31 40 40 9 10 30 10 30 30 11 20 20 12 29 31 29 31 31 13 14 15 14 15 15 16 37 38 37 38 38 31 32 33 32 33 33 18 19 31 19 31 31 21 22 23 22 23 23 26 27 28 27 28 28 11 16 17 16 17 17 34 35 36 35 36 36 107.8072 107.4386 110.9762 107.8956 111.481 111.0688 111.9344 111.6999 109.1538 102.3487 110.339 111.2519 104.8783 113.0257 109.1236 113.1289 109.7989 106.8537 113.4682 104.4733 110.8414 105.3174 111.0209 111.4142 111.7714 105.2191 117.1964 104.1047 104.5511 113.3653 110.7342 124.2081 125.0556 106.9877 111.6683 107.8581 106.4368 107.8145 115.6762 111.6166 110.3744 101.1453 107.9373 110.1277 115.5937 104.3869 110.0837 111.2868 110.2016 112.9483 107.9222 104.0562 106.6646 114.079 106.4126 117.7433 107.1739 109.3241 111.2216 107.7003 105.9644 110.1102 112.5021 112.6933 104.8418 113.6879 105.554 112.0241 107.2701 110.6883 112.7625 110.601 107.4328 107.6413 107.5029 103.541 113.8903 105.2262 103.3 112.7256 117.4712 111.9875 109.8834 112.1305 107.2733 108.0576 107.2784 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 2 2 2 3 3 3 4 4 4 1 1 1 17 17 17 25 25 25 1 1 1 6 6 6 25 25 25 1 1 1 6 6 6 17 17 17 5 5 5 24 24 24 39 39 39 6 6 6 31 31 31 40 40 40 6 6 6 8 8 8 40 40 40 7 7 9 9 30 30 8 8 8 20 20 20 8 8 8 11 11 11 10 10 10 29 29 29 31 31 31 10 10 10 12 12 12 29 29 29 11 11 11 13 13 13 14 14 14 12 12 12 37 37 37 38 38 38 15 15 15 32 32 32 33 33 33 15 15 15 31 31 31 32 32 32 5 5 5 18 18 18 19 19 1 1 1 1 1 1 1 1 1 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 17 17 17 17 17 17 17 17 17 25 25 25 25 25 25 25 25 25 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 31 31 31 31 31 31 31 31 31 10 10 10 10 10 10 11 11 11 11 11 11 20 20 20 20 20 20 12 12 12 12 12 12 12 12 12 31 31 31 31 31 31 31 31 31 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 31 31 31 31 31 31 31 31 31 33 33 33 33 33 33 33 33 33 31 31 31 31 31 31 31 31 6 17 25 6 17 25 6 17 25 7 24 39 7 24 39 7 24 39 18 19 31 18 19 31 18 19 31 26 27 28 26 27 28 26 27 28 8 31 40 8 31 40 8 31 40 9 10 30 9 10 30 9 10 30 11 16 17 11 16 17 11 16 17 11 20 11 20 11 20 12 29 31 12 29 31 21 22 23 21 22 23 13 14 15 13 14 15 13 14 15 7 16 17 7 16 17 7 16 17 16 37 38 16 37 38 16 37 38 31 32 33 31 32 33 31 32 33 7 11 17 7 11 17 7 11 17 34 35 36 34 35 36 34 35 36 7 11 16 7 11 16 7 11 -176.9465 -62.843 60.606 -56.7584 57.3451 -179.2058 63.6049 177.7084 -58.8425 158.3227 -77.9995 40.7379 38.5738 162.2516 -79.011 -79.9079 43.7699 162.5073 -25.8259 90.8427 -145.4543 94.0867 -149.2447 -25.5417 -148.0792 -31.4106 92.2924 -60.7645 178.8551 58.4466 175.8354 55.455 -64.9534 62.95 -57.4304 -177.8389 -151.3254 -37.1526 82.9625 85.0628 -160.7644 -40.6493 -34.2018 79.971 -159.9139 -161.4878 86.141 -40.8642 84.8455 -27.5256 -154.5309 -35.8715 -148.2426 84.7522 -98.0623 150.5009 20.4517 21.7486 -89.6883 140.2625 142.2072 30.7704 -99.2788 23.1285 -156.3663 -94.5618 85.9434 152.4371 -27.0578 106.6506 -137.2621 -9.1037 -73.8598 42.2275 170.3859 -31.8952 82.4034 -160.7478 148.682 -97.0195 19.8293 -20.1989 99.8375 -137.2851 -139.7141 -19.6777 103.1997 95.5845 -144.3791 -21.5017 -8.3652 110.6458 -121.5531 -123.5758 -4.5648 123.2363 117.4602 -123.5288 4.2723 39.9899 -78.2636 162.1264 -78.181 163.5655 43.9555 159.1871 40.9336 -78.6764 -44.6671 67.6041 -174.273 73.5058 -174.223 -56.1001 -165.7054 -53.4342 64.6887 140.7698 29.187 -95.5856 28.3168 -83.266 151.9614 -91.8638 156.5534 31.7808 177.4769 -63.4088 55.8033 55.0905 174.2048 -66.5831 -64.6918 54.4224 173.6346 3.3672 115.5204 -124.554 -115.7607 -3.6075 116.318 126.2885 -121.5583 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 180.16049999999996 AuxInfo=1/0/N:1;5;6;7;8;10;11;12;15;16;17;20;25;31;33;2;3;4;9;13;14;18;19;21;22;23;24;26;27;28;29;30;32;34;35;36;37;38;39;40/rA:40nC0H0H0H0C0C0C0C0H0C0C0C0H0H0C0C0C0H0H0C0H0H0H0H0C0H0H0H0H0H0C0H0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.0918,-.3595,-1.7358;-3.5253,.5723,-2.1094;-2.4858,-.7917,-2.5381;-3.9172,-1.0468,-1.5327;-2.2598,-.113,-.4786;-1.5788,-1.4041,.0126;-.3814,-.9369,.845;.7983,-1.9172,.836;1.3885,-1.908,1.7724;1.7164,-1.4614,-.2135;1.3325,-.1587,-.7273;2.4546,.951,-.7128;3.3415,.5972,-.1798;2.7624,1.2228,-1.7221;1.7781,2.0898,.0569;.8087,1.3953,1.0173;-1.0547,.8223,-.7608;-.7877,.767,-1.8219;-1.313,1.8667,-.5728;2.884,-2.2114,-.6765;3.6814,-2.0227,.0619;2.7222,-3.2912,-.6697;3.2574,-1.866,-1.641;-2.2576,-2.0549,.5702;-3.1571,.4743,.6164;-3.5935,1.4205,.2866;-2.6153,.6705,1.5446;-3.9797,-.2066,.8491;1.0725,-.3605,-1.7849;.5403,-2.9779,.7126;.1276,.3365,.1148;1.4252,.8383,1.7427;-.0899,2.3313,1.8075;-.7563,1.7825,2.4773;.5139,2.9978,2.4275;-.7052,2.9579,1.1581;1.2205,2.733,-.6317;2.5101,2.7147,.5742;-1.2261,-1.9794,-.8548;-.6884,-.7109,1.8691; 0.000000 1.093459 0.000000 1.094423 1.767701 0.000000 1.093081 1.762831 1.767731 0.000000 1.527611 2.174975 2.180191 2.174823 0.000000 2.537169 3.492477 2.775554 2.825491 1.540054 0.000000 3.786903 4.570587 3.986874 4.262316 2.441158 1.531339 0.000000 4.916681 5.793624 4.841159 5.348258 3.786169 2.567473 1.533788 0.000000 5.897408 6.735425 5.902325 6.310000 4.647530 3.486581 2.221646 1.106933 0.000000 5.162389 5.933369 4.848756 5.800762 4.206911 3.303416 2.407454 1.467038 2.061738 0.000000 4.542271 5.103199 4.273078 5.384841 3.601191 3.251778 2.452549 2.412803 3.051497 1.451964 0.000000 5.790266 6.152497 5.547646 6.727794 4.838686 4.726635 3.746177 3.656338 3.935307 2.571700 1.578215 0.000000 6.687625 7.132784 6.438014 7.564493 5.654067 5.315244 4.154969 3.717849 3.728482 2.622977 2.215229 1.093499 0.000000 6.064356 6.333135 5.680490 7.057214 5.343567 5.362474 4.597615 4.501305 4.888901 3.251918 2.223292 1.089646 1.762183 0.000000 5.738456 5.926398 5.763557 6.693426 4.630814 4.845456 3.800768 4.198020 4.367770 3.562003 2.422708 1.532056 2.174412 2.210340 0.000000 5.086593 5.407132 5.317690 5.899198 3.732131 3.813991 2.624042 3.317509 3.437828 3.240264 2.394339 2.428925 2.912910 3.369119 1.531108 0.000000 2.548969 2.825771 2.794960 3.504727 1.551382 2.414438 2.475249 3.672621 4.454348 3.632255 2.581114 3.512008 4.440128 3.956634 3.209406 2.638619 0.000000 2.566227 2.759542 2.413687 3.628665 2.178561 2.950375 3.190747 4.096913 4.981040 3.717874 2.559347 3.431696 4.446954 3.580642 3.444354 3.317305 1.095611 0.000000 3.077809 2.988472 3.507848 4.023880 2.196496 3.333317 3.276907 4.556275 5.200606 4.514602 3.335349 3.879819 4.840462 4.283051 3.162481 2.692946 1.092155 1.745220 0.000000 6.345252 7.133084 5.857970 6.953081 5.558869 4.587306 3.821242 2.593205 2.885427 1.462999 2.573574 3.191587 2.888671 3.591917 4.501281 4.492700 4.972288 4.864535 5.852863 0.000000 7.202463 7.961500 6.805188 7.825235 6.263977 5.296742 4.277667 2.987150 2.862896 2.062168 3.100778 3.308762 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0.000000392 -0.000000197 0.000001129 -0.000001363 0.000000561 0.000000266 -0.000000348 0.000001585 0.000001057 180.16049999999996 AuxInfo=1/0/N:1;5;6;7;8;10;11;12;15;16;17;20;25;31;33;2;3;4;9;13;14;18;19;21;22;23;24;26;27;28;29;30;32;34;35;36;37;38;39;40/rA:40nC0H0H0H0C0C0C0C0H0C0C0C0H0H0C0C0C0H0H0C0H0H0H0H0C0H0H0H0H0H0C0H0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.0835,-.5057,-1.6703;-3.5803,.3963,-2.0376;-2.4745,-.9081,-2.4858;-3.862,-1.2377,-1.4396;-2.2351,-.1992,-.4373;-1.4658,-1.4386,.0538;-.303,-.8789,.8759;.9328,-1.7847,.8802;1.6173,-1.5418,1.7167;1.6886,-1.4109,-.3205;1.3528,-.0672,-.7396;2.5976,.862,-.3687;3.23,.4022,.3974;3.2138,1.0404,-1.2499;1.8921,2.0864,.1996;.7408,1.5122,1.0253;-1.0893,.7955,-.7621;-.8332,.7191,-1.8244;-1.4054,1.828,-.603;2.6386,-2.2879,-.9985;3.1512,-2.9653,-.3116;2.0168,-2.9342,-1.6428;3.3363,-1.7591,-1.6477;-2.0927,-2.136,.6159;-3.1412,.3409,.675;-3.6345,1.2632,.3576;-2.5948,.5618,1.5956;-3.9215,-.3842,.9217;1.2295,-.0012,-1.8269;.7627,-2.8629,.9682;.1322,.4081,.1097;1.1959,.9903,1.8815;-.2023,2.563,1.5897;-1.035,2.1143,2.1354;.3349,3.2068,2.2899;-.6161,3.2061,.8097;1.5012,2.7068,-.6142;2.5764,2.6997,.7913;-1.0766,-1.9891,-.8156;-.6229,-.6477,1.8944; Gaussian 16 GINC-A4 CLIN7 IRC 5 ES64L-G16RevC.01 114 C1[X(C15H25)] RmPW1PW91 6-31G(d,p) Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RmPW1PW91/6-31G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 180.16049999999996 AuxInfo=1/0/N:1;5;6;7;8;10;11;12;15;16;17;20;25;31;33;2;3;4;9;13;14;18;19;21;22;23;24;26;27;28;29;30;32;34;35;36;37;38;39;40/rA:40nC0H0H0H0C0C0C0C0H0C0C0C0H0H0C0C0C0H0H0C0H0H0H0H0C0H0H0H0H0H0C0H0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.0835,-.5057,-1.6703;-3.5803,.3963,-2.0376;-2.4745,-.9081,-2.4858;-3.862,-1.2377,-1.4396;-2.2351,-.1992,-.4373;-1.4658,-1.4386,.0538;-.303,-.8789,.8759;.9328,-1.7847,.8802;1.6173,-1.5418,1.7167;1.6886,-1.4109,-.3205;1.3528,-.0672,-.7396;2.5976,.862,-.3687;3.23,.4022,.3974;3.2138,1.0404,-1.2499;1.8921,2.0864,.1996;.7408,1.5122,1.0253;-1.0893,.7955,-.7621;-.8332,.7191,-1.8244;-1.4054,1.828,-.603;2.6386,-2.2879,-.9985;3.1512,-2.9653,-.3116;2.0168,-2.9341,-1.6428;3.3363,-1.7591,-1.6477;-2.0927,-2.136,.6159;-3.1412,.3409,.675;-3.6345,1.2632,.3576;-2.5948,.5618,1.5956;-3.9215,-.3842,.9217;1.2295,-.0012,-1.8269;.7627,-2.8629,.9682;.1322,.4081,.1097;1.1959,.9903,1.8815;-.2023,2.563,1.5897;-1.035,2.1143,2.1354;.3349,3.2068,2.2899;-.6161,3.2061,.8097;1.5012,2.7068,-.6142;2.5764,2.6997,.7913;-1.0766,-1.9891,-.8156;-.6229,-.6477,1.8944; IRC 5 Redundant internal coordinates found in file. (old form). Charge = 1 Multiplicity = 1 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 1 1 1 1 5 5 5 6 6 6 7 7 7 8 8 8 10 10 11 11 11 12 12 12 15 15 15 16 16 16 17 17 17 20 20 20 25 25 25 33 33 33 2 3 4 5 6 17 25 7 24 39 8 31 40 9 10 30 11 20 12 29 31 13 14 15 16 37 38 31 32 33 18 19 31 21 22 23 26 27 28 34 35 36 1.0934 1.0945 1.0932 1.5277 1.5391 1.5518 1.5329 1.5301 1.0934 1.1002 1.5322 1.5598 1.0923 1.1078 1.4673 1.0951 1.447 1.4599 1.5971 1.0963 1.5611 1.0947 1.0899 1.5231 1.5287 1.0954 1.093 1.5581 1.1011 1.5206 1.0955 1.0915 1.5499 1.0925 1.1043 1.0899 1.0931 1.0931 1.0934 1.092 1.0924 1.0924 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 2 2 2 3 3 4 1 1 1 6 6 17 5 5 5 7 7 24 6 6 6 8 8 31 7 7 7 9 9 10 8 8 11 10 10 10 12 12 29 11 11 11 13 13 14 12 12 12 16 16 37 15 15 15 31 31 32 5 5 5 18 18 19 10 10 10 21 21 22 5 5 5 26 26 27 7 7 7 11 11 16 16 16 16 34 34 35 1 1 1 1 1 1 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 20 20 20 20 20 20 25 25 25 25 25 25 31 31 31 31 31 31 33 33 33 33 33 33 3 4 5 4 5 5 6 17 25 17 25 25 7 24 39 24 39 39 8 31 40 31 40 40 9 10 30 10 30 30 11 20 20 12 29 31 29 31 31 13 14 15 14 15 15 16 37 38 37 38 38 31 32 33 32 33 33 18 19 31 19 31 31 21 22 23 22 23 23 26 27 28 27 28 28 11 16 17 16 17 17 34 35 36 35 36 36 107.8072 107.4386 110.9762 107.8956 111.481 111.0688 111.9344 111.6999 109.1538 102.3487 110.339 111.2519 104.8783 113.0257 109.1236 113.1289 109.7989 106.8537 113.4682 104.4733 110.8414 105.3174 111.0209 111.4142 111.7714 105.2191 117.1964 104.1047 104.5511 113.3653 110.7342 124.2081 125.0556 106.9877 111.6683 107.8581 106.4368 107.8145 115.6762 111.6166 110.3744 101.1453 107.9373 110.1277 115.5937 104.3869 110.0837 111.2868 110.2016 112.9483 107.9222 104.0562 106.6646 114.079 106.4126 117.7433 107.1739 109.3241 111.2216 107.7003 105.9644 110.1102 112.5021 112.6933 104.8418 113.6879 105.554 112.0241 107.2701 110.6883 112.7625 110.601 107.4328 107.6413 107.5029 103.541 113.8903 105.2262 103.3 112.7256 117.4712 111.9875 109.8834 112.1305 107.2733 108.0576 107.2784 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 2 2 2 3 3 3 4 4 4 1 1 1 17 17 17 25 25 25 1 1 1 6 6 6 25 25 25 1 1 1 6 6 6 17 17 17 5 5 5 24 24 24 39 39 39 6 6 6 31 31 31 40 40 40 6 6 6 8 8 8 40 40 40 7 7 9 9 30 30 8 8 8 20 20 20 8 8 8 11 11 11 10 10 10 29 29 29 31 31 31 10 10 10 12 12 12 29 29 29 11 11 11 13 13 13 14 14 14 12 12 12 37 37 37 38 38 38 15 15 15 32 32 32 33 33 33 15 15 15 31 31 31 32 32 32 5 5 5 18 18 18 19 19 19 1 1 1 1 1 1 1 1 1 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 17 17 17 17 17 17 17 17 17 25 25 25 25 25 25 25 25 25 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 31 31 31 31 31 31 31 31 31 10 10 10 10 10 10 11 11 11 11 11 11 20 20 20 20 20 20 12 12 12 12 12 12 12 12 12 31 31 31 31 31 31 31 31 31 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 31 31 31 31 31 31 31 31 31 33 33 33 33 33 33 33 33 33 31 31 31 31 31 31 31 31 31 6 17 25 6 17 25 6 17 25 7 24 39 7 24 39 7 24 39 18 19 31 18 19 31 18 19 31 26 27 28 26 27 28 26 27 28 8 31 40 8 31 40 8 31 40 9 10 30 9 10 30 9 10 30 11 16 17 11 16 17 11 16 17 11 20 11 20 11 20 12 29 31 12 29 31 21 22 23 21 22 23 13 14 15 13 14 15 13 14 15 7 16 17 7 16 17 7 16 17 16 37 38 16 37 38 16 37 38 31 32 33 31 32 33 31 32 33 7 11 17 7 11 17 7 11 17 34 35 36 34 35 36 34 35 36 7 11 16 7 11 16 7 11 16 -176.9465 -62.843 60.606 -56.7584 57.3451 -179.2058 63.6049 177.7084 -58.8425 158.3227 -77.9995 40.7379 38.5738 162.2516 -79.011 -79.9079 43.7699 162.5073 -25.8259 90.8427 -145.4543 94.0867 -149.2447 -25.5417 -148.0792 -31.4106 92.2924 -60.7645 178.8551 58.4466 175.8354 55.455 -64.9534 62.95 -57.4304 -177.8389 -151.3254 -37.1526 82.9625 85.0628 -160.7644 -40.6493 -34.2018 79.971 -159.9139 -161.4878 86.141 -40.8642 84.8455 -27.5256 -154.5309 -35.8715 -148.2426 84.7522 -98.0623 150.5009 20.4517 21.7486 -89.6883 140.2625 142.2072 30.7704 -99.2788 23.1285 -156.3663 -94.5618 85.9434 152.4371 -27.0578 106.6506 -137.2621 -9.1037 -73.8598 42.2275 170.3859 -31.8952 82.4034 -160.7478 148.682 -97.0195 19.8293 -20.1989 99.8375 -137.2851 -139.7141 -19.6777 103.1997 95.5845 -144.3791 -21.5017 -8.3652 110.6458 -121.5531 -123.5758 -4.5648 123.2363 117.4602 -123.5288 4.2723 39.9899 -78.2636 162.1264 -78.181 163.5655 43.9555 159.1871 40.9336 -78.6764 -44.6671 67.6041 -174.273 73.5058 -174.223 -56.1001 -165.7054 -53.4342 64.6887 140.7698 29.187 -95.5856 28.3168 -83.266 151.9614 -91.8638 156.5534 31.7808 177.4769 -63.4088 55.8033 55.0905 174.2048 -66.5831 -64.6918 54.4224 173.6346 3.3672 115.5204 -124.554 -115.7607 -3.6075 116.318 126.2885 -121.5583 -1.6328 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00079 0.00164 0.00190 0.00246 0.00307 0.00375 0.00395 0.00440 0.00604 0.01034 0.01621 0.01737 0.01861 0.02243 0.03137 0.03376 0.03416 0.03579 0.03803 0.03831 0.03851 0.03932 0.03978 0.04027 0.04098 0.04213 0.04340 0.04412 0.04458 0.04516 0.04531 0.04575 0.04602 0.04659 0.04734 0.04863 0.04968 0.05160 0.05286 0.05349 0.05689 0.06013 0.06140 0.06215 0.06336 0.06472 0.06715 0.06942 0.07736 0.08470 0.08812 0.09198 0.09388 0.10382 0.11210 0.11457 0.11925 0.12138 0.12417 0.12494 0.12606 0.13233 0.14361 0.14486 0.14971 0.15021 0.15306 0.15441 0.15879 0.17035 0.17992 0.19055 0.19518 0.21139 0.22087 0.22312 0.24256 0.25518 0.25895 0.26221 0.26815 0.27855 0.28735 0.28865 0.29635 0.30964 0.31296 0.31872 0.32169 0.32772 0.32827 0.33087 0.33666 0.33980 0.34051 0.34189 0.34296 0.34544 0.34561 0.34588 0.34639 0.34700 0.34747 0.34798 0.34857 0.34930 0.35070 0.35121 0.35149 0.35210 0.35445 0.35490 0.35693 0.37086 Angle between quadratic step and forces= 70.49 degrees. 1 2 0.00009354 0.00000001 0.00000001 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 2.06614 2.06825 2.06594 2.88687 2.90855 2.93239 2.89685 2.89150 2.06621 2.07899 2.89540 2.94756 2.06420 2.09348 2.77274 2.06935 2.73440 2.75880 3.01799 2.07169 2.95000 2.06865 2.05968 2.87821 2.88878 2.07008 2.06551 2.94442 2.08083 2.87358 2.07011 2.06257 2.92881 2.06461 2.08676 2.05962 2.06568 2.06566 2.06619 2.06359 2.06426 2.06429 1.88159 1.87516 1.93690 1.88313 1.94571 1.93852 1.95362 1.94953 1.90509 1.78632 1.92578 1.94171 1.83047 1.97267 1.90457 1.97447 1.91635 1.86495 1.98039 1.82340 1.93455 1.83813 1.93768 1.94455 1.95078 1.83642 2.04546 1.81697 1.82476 1.97860 1.93268 2.16784 2.18263 1.86729 1.94898 1.88248 1.85767 1.88172 2.01893 1.94808 1.92640 1.76532 1.88386 1.92209 2.01749 1.82190 1.92132 1.94232 1.92338 1.97132 1.88360 1.81612 1.86165 1.99105 1.85725 2.05501 1.87054 1.90806 1.94118 1.87972 1.84943 1.92179 1.96353 1.96687 1.82983 1.98423 1.84227 1.95519 1.87222 1.93188 1.96808 1.93035 1.87506 1.87870 1.87628 1.80713 1.98776 1.83654 1.80293 1.96743 2.05026 1.95455 1.91783 1.95705 1.87227 1.88596 1.87236 -3.08830 -1.09682 1.05777 -0.99062 1.00086 -3.12773 1.11012 3.10160 -1.02700 2.76325 -1.36135 0.71101 0.67324 2.83183 -1.37900 -1.39466 0.76393 2.83629 -0.45075 1.58550 -2.53866 1.64212 -2.60481 -0.44579 -2.58447 -0.54822 1.61081 -1.06054 3.12161 1.02009 3.06891 0.96787 -1.13365 1.09868 -1.00235 -3.10387 -2.64113 -0.64844 1.44797 1.48463 -2.80587 -0.70946 -0.59693 1.39576 -2.79102 -2.81849 1.50344 -0.71322 1.48083 -0.48041 -2.69707 -0.62608 -2.58732 1.47920 -1.71151 2.62674 0.35695 0.37958 -1.56536 2.44804 2.48198 0.53704 -1.73274 0.40367 -2.72911 -1.65041 1.49999 2.66053 -0.47225 1.86140 -2.39568 -0.15889 -1.28910 0.73701 2.97380 -0.55668 1.43821 -2.80558 2.59499 -1.69331 0.34609 -0.35254 1.74249 -2.39608 -2.43847 -0.34344 1.80117 1.66826 -2.51989 -0.37528 -0.14600 1.93113 -2.12150 -2.15680 -0.07967 2.15088 2.05007 -2.15598 0.07457 0.69795 -1.36596 2.82964 -1.36452 2.85476 0.76717 2.77834 0.71443 -1.37316 -0.77959 1.17991 -3.04164 1.28292 -3.04077 -0.97913 -2.89210 -0.93260 1.12903 2.45690 0.50941 -1.66828 0.49422 -1.45327 2.65223 -1.60333 2.73237 0.55468 3.09756 -1.10669 0.97395 0.96151 3.04045 -1.16209 -1.12909 0.94985 3.03049 0.05877 2.01621 -2.17388 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1.90805 1.94119 1.87973 1.84942 1.92179 1.96353 1.96685 1.82982 1.98426 1.84218 1.95522 1.87225 1.93188 1.96808 1.93035 1.87506 1.87870 1.87627 1.80714 1.98777 1.83655 1.80291 1.96743 2.05026 1.95454 1.91786 1.95702 1.87228 1.88595 1.87236 -3.08833 -1.09686 1.05775 -0.99066 1.00081 -3.12776 1.11008 3.10155 -1.02703 2.76320 -1.36141 0.71095 0.67321 2.83178 -1.37905 -1.39472 0.76386 2.83621 -0.45068 1.58555 -2.53860 1.64216 -2.60479 -0.44575 -2.58441 -0.54817 1.61086 -1.06066 3.12147 1.01997 3.06881 0.96776 -1.13375 1.09857 -1.00248 -3.10399 -2.64112 -0.64842 1.44797 1.48464 -2.80584 -0.70945 -0.59692 1.39578 -2.79102 -2.81852 1.50344 -0.71323 1.48080 -0.48042 -2.69710 -0.62610 -2.58732 1.47919 -1.71150 2.62676 0.35695 0.37960 -1.56533 2.44805 2.48200 0.53707 -1.73273 0.40367 -2.72910 -1.65040 1.50002 2.66055 -0.47221 1.86144 -2.39555 -0.15888 -1.28907 0.73713 2.97380 -0.55679 1.43798 -2.80575 2.59489 -1.69353 0.34592 -0.35246 1.74256 -2.39600 -2.43844 -0.34342 1.80120 1.66834 -2.51982 -0.37520 -0.14602 1.93113 -2.12152 -2.15687 -0.07973 2.15081 2.04997 -2.15607 0.07446 0.69789 -1.36602 2.82958 -1.36460 2.85468 0.76708 2.77833 0.71442 -1.37318 -0.77955 1.17996 -3.04157 1.28295 -3.04072 -0.97907 -2.89208 -0.93257 1.12909 2.45692 0.50943 -1.66824 0.49424 -1.45324 2.65227 -1.60330 2.73239 0.55472 3.09721 -1.10702 0.97364 0.96117 3.04013 -1.16240 -1.12943 0.94953 3.03019 0.05875 2.01619 -2.17392 -2.02042 -0.06297 2.03009 2.20414 -2.12160 -0.02853 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000008 0.000001 0.000519 0.000094 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.784871e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 1 1 1 1 5 5 5 6 6 6 7 7 7 8 8 8 10 10 11 11 11 12 12 12 15 15 15 16 16 16 17 17 17 20 20 20 25 25 25 33 33 33 2 3 4 5 6 17 25 7 24 39 8 31 40 9 10 30 11 20 12 29 31 13 14 15 16 37 38 31 32 33 18 19 31 21 22 23 26 27 28 34 35 36 1.0934 1.0945 1.0932 1.5277 1.5391 1.5518 1.5329 1.5301 1.0934 1.1002 1.5322 1.5598 1.0923 1.1078 1.4673 1.0951 1.447 1.4599 1.5971 1.0963 1.5611 1.0947 1.0899 1.5231 1.5287 1.0954 1.093 1.5581 1.1011 1.5206 1.0955 1.0915 1.5499 1.0925 1.1043 1.0899 1.0931 1.0931 1.0934 1.092 1.0924 1.0924 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 2 2 2 3 3 4 1 1 1 6 6 17 5 5 5 7 7 24 6 6 6 8 8 31 7 7 7 9 9 10 8 8 11 10 10 10 12 12 29 11 11 11 13 13 14 12 12 12 16 16 37 15 15 15 31 31 32 5 5 5 18 18 19 10 10 10 21 21 22 5 5 5 26 26 27 7 7 7 11 11 16 16 16 16 34 34 35 1 1 1 1 1 1 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 20 20 20 20 20 20 25 25 25 25 25 25 31 31 31 31 31 31 33 33 33 33 33 33 3 4 5 4 5 5 6 17 25 17 25 25 7 24 39 24 39 39 8 31 40 31 40 40 9 10 30 10 30 30 11 20 20 12 29 31 29 31 31 13 14 15 14 15 15 16 37 38 37 38 38 31 32 33 32 33 33 18 19 31 19 31 31 21 22 23 22 23 23 26 27 28 27 28 28 11 16 17 16 17 17 34 35 36 35 36 36 107.8072 107.4386 110.9762 107.8956 111.481 111.0688 111.9344 111.6999 109.1538 102.3487 110.339 111.2519 104.8783 113.0257 109.1236 113.1289 109.7989 106.8537 113.4682 104.4733 110.8414 105.3174 111.0209 111.4142 111.7714 105.2191 117.1964 104.1047 104.5511 113.3653 110.7342 124.2081 125.0556 106.9877 111.6683 107.8581 106.4368 107.8145 115.6762 111.6166 110.3744 101.1453 107.9373 110.1277 115.5937 104.3869 110.0837 111.2868 110.2016 112.9483 107.9222 104.0562 106.6646 114.079 106.4126 117.7433 107.1739 109.3241 111.2216 107.7003 105.9644 110.1102 112.5021 112.6933 104.8418 113.6879 105.554 112.0241 107.2701 110.6883 112.7625 110.601 107.4328 107.6413 107.5029 103.541 113.8903 105.2262 103.3 112.7256 117.4712 111.9875 109.8834 112.1305 107.2733 108.0576 107.2784 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 2 2 2 3 3 3 4 4 4 1 1 1 17 17 17 25 25 25 1 1 1 6 6 6 25 25 25 1 1 1 6 6 6 17 17 17 5 5 5 24 24 24 39 39 39 6 6 6 31 31 31 40 40 40 6 6 6 8 8 8 40 40 40 7 7 9 9 30 30 8 8 8 20 20 20 8 8 8 11 11 11 10 10 10 29 29 29 31 31 31 10 10 10 12 12 12 29 29 29 11 11 11 13 13 13 14 14 14 12 12 12 37 37 37 38 38 38 15 15 15 32 32 32 33 33 33 15 15 15 31 31 31 32 32 32 5 5 5 18 18 18 19 19 1 1 1 1 1 1 1 1 1 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 17 17 17 17 17 17 17 17 17 25 25 25 25 25 25 25 25 25 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 31 31 31 31 31 31 31 31 31 10 10 10 10 10 10 11 11 11 11 11 11 20 20 20 20 20 20 12 12 12 12 12 12 12 12 12 31 31 31 31 31 31 31 31 31 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 31 31 31 31 31 31 31 31 31 33 33 33 33 33 33 33 33 33 31 31 31 31 31 31 31 31 6 17 25 6 17 25 6 17 25 7 24 39 7 24 39 7 24 39 18 19 31 18 19 31 18 19 31 26 27 28 26 27 28 26 27 28 8 31 40 8 31 40 8 31 40 9 10 30 9 10 30 9 10 30 11 16 17 11 16 17 11 16 17 11 20 11 20 11 20 12 29 31 12 29 31 21 22 23 21 22 23 13 14 15 13 14 15 13 14 15 7 16 17 7 16 17 7 16 17 16 37 38 16 37 38 16 37 38 31 32 33 31 32 33 31 32 33 7 11 17 7 11 17 7 11 17 34 35 36 34 35 36 34 35 36 7 11 16 7 11 16 7 11 -176.9465 -62.843 60.606 -56.7584 57.3451 -179.2058 63.6049 177.7084 -58.8425 158.3227 -77.9995 40.7379 38.5738 162.2516 -79.011 -79.9079 43.7699 162.5073 -25.8259 90.8427 -145.4543 94.0867 -149.2447 -25.5417 -148.0792 -31.4106 92.2924 -60.7645 178.8551 58.4466 175.8354 55.455 -64.9534 62.95 -57.4304 -177.8389 -151.3254 -37.1526 82.9625 85.0628 -160.7644 -40.6493 -34.2018 79.971 -159.9139 -161.4878 86.141 -40.8642 84.8455 -27.5256 -154.5309 -35.8715 -148.2426 84.7522 -98.0623 150.5009 20.4517 21.7486 -89.6883 140.2625 142.2072 30.7704 -99.2788 23.1285 -156.3663 -94.5618 85.9434 152.4371 -27.0578 106.6506 -137.2621 -9.1037 -73.8598 42.2275 170.3859 -31.8952 82.4034 -160.7478 148.682 -97.0195 19.8293 -20.1989 99.8375 -137.2851 -139.7141 -19.6777 103.1997 95.5845 -144.3791 -21.5017 -8.3652 110.6458 -121.5531 -123.5758 -4.5648 123.2363 117.4602 -123.5288 4.2723 39.9899 -78.2636 162.1264 -78.181 163.5655 43.9555 159.1871 40.9336 -78.6764 -44.6671 67.6041 -174.273 73.5058 -174.223 -56.1001 -165.7054 -53.4342 64.6887 140.7698 29.187 -95.5856 28.3168 -83.266 151.9614 -91.8638 156.5534 31.7808 177.4769 -63.4088 55.8033 55.0905 174.2048 -66.5831 -64.6918 54.4224 173.6346 3.3672 115.5204 -124.554 -115.7607 -3.6075 116.318 126.2885 -121.5583 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 6-31G(d,p) (6D, 7F) 350 A 350 A 350 595 350 57 57 1121.1638085766 40 40 40 1.00e+00 60 F 0.000000 1.093352 0.000000 1.094469 1.767819 0.000000 1.093248 1.762679 1.768728 0.000000 1.527665 2.173713 2.180861 2.174794 0.000000 2.541523 3.494516 2.783602 2.830585 1.539139 0.000000 3.788560 4.566755 4.002176 4.261078 2.433024 1.530116 0.000000 4.926565 5.799857 4.869126 5.354507 3.779581 2.560489 1.532180 0.000000 5.885772 6.698212 5.899638 6.330698 4.613411 3.504536 2.198630 1.107821 0.000000 5.041189 5.828838 4.719395 5.664934 4.108193 3.176672 2.383439 1.467273 2.042645 0.000000 4.553984 5.122011 4.290076 5.390198 3.603039 3.233359 2.451551 2.397909 2.877040 1.446984 0.000000 5.986581 6.416256 5.774238 6.876208 4.948353 4.688569 3.604620 3.367008 3.329854 2.448402 1.597050 0.000000 6.705172 7.232516 6.524679 7.507360 5.561116 5.055417 3.788416 3.208257 2.849566 2.485687 2.244327 1.094685 0.000000 6.497886 6.869850 6.138489 7.435911 5.646913 5.453777 4.535457 4.209722 4.244604 3.032933 2.224990 1.089936 1.766695 0.000000 5.913622 6.148803 5.936768 6.844387 4.760589 4.870500 3.750788 4.045822 3.942117 3.541551 2.410545 1.523084 2.159999 2.223060 0.000000 5.095420 5.412831 5.340824 5.901173 3.731566 3.810526 2.613265 3.305642 3.251572 3.354666 2.446184 2.411154 2.796816 3.393331 1.528678 0.000000 2.548469 2.826915 2.791484 3.504426 1.551752 2.407995 2.470783 3.666503 4.351171 3.574837 2.590053 3.708388 4.489444 4.337534 3.388135 2.656648 0.000000 2.566661 2.774216 2.404014 3.626454 2.175537 2.929786 3.182228 4.086938 4.863758 3.627388 2.563929 3.729583 4.641820 4.100155 3.659639 3.350774 1.095453 0.000000 3.066096 2.972840 3.489150 4.016603 2.196674 3.332449 3.275597 4.551753 5.086543 4.488071 3.349345 4.124577 4.951835 4.730317 3.403564 2.712476 1.091465 1.746143 0.000000 6.030676 6.852656 5.500864 6.599622 5.332009 4.321432 3.761830 2.587027 2.995303 1.459892 2.579089 3.212522 3.087894 3.386981 4.596398 4.705089 4.843537 4.666616 5.783653 0.000000 6.838611 7.719628 6.372445 7.310400 6.056351 4.876596 4.206474 2.781293 2.914252 2.134393 3.437529 3.867630 3.442289 4.114677 5.231302 5.257871 5.685787 5.633761 6.619926 1.092544 0.000000 5.648958 6.524977 4.998740 6.122059 5.197292 4.152578 3.993655 2.976945 3.658479 2.043667 3.078341 4.046200 4.094614 4.169467 5.349371 5.340133 4.932905 4.637006 5.955733 1.104265 1.749306 0.000000 6.541033 7.255166 5.932322 7.220191 5.910944 5.104746 4.515287 3.488300 3.784326 2.144217 2.760739 3.008646 2.977460 2.830314 4.504024 4.958133 5.186148 4.853621 6.036792 1.089902 1.809587 1.766889 0.000000 2.977659 3.958175 3.357773 2.857046 2.209286 1.093389 2.202516 3.057253 3.915257 3.962465 4.241340 5.653056 5.900986 6.459889 5.820695 4.637465 3.391139 3.961568 4.203758 5.001456 5.389454 4.756784 5.894111 0.000000 2.494075 2.748495 3.463420 2.735517 1.532946 2.521710 3.095707 4.599676 5.222322 5.233185 4.728975 5.856148 6.377495 6.676834 5.348472 4.069965 2.546036 3.423054 2.618699 6.566306 7.176194 6.534725 7.194636 2.690316 0.000000 2.746800 2.547809 3.760997 3.088086 2.174579 3.477777 3.994502 5.515666 6.107083 5.995453 5.276968 6.287048 6.918346 7.037899 5.589704 4.432943 2.819653 3.592280 2.492018 7.334868 8.023298 7.318216 7.857956 3.741504 1.093109 0.000000 3.470521 3.768152 4.339745 3.749218 2.200331 2.766462 2.801079 4.296687 4.709744 5.090237 4.629496 5.559658 5.948888 6.485809 4.940148 3.514949 2.807156 3.850333 2.802085 6.499111 7.006724 6.631442 7.147310 2.913802 1.093098 1.762297 0.000000 2.726773 3.079462 3.738884 2.511487 2.173683 2.809803 3.652417 5.052380 5.714035 5.836934 5.538774 6.761402 7.213643 7.593236 6.357857 5.034298 3.499751 4.277413 3.680889 7.095428 7.629225 6.952815 7.820965 2.550811 1.093380 1.764875 1.763306 0.000000 4.345155 4.830754 3.869898 5.253770 3.738118 3.587140 3.228588 3.255379 3.883375 2.113544 1.096293 2.177902 3.018689 2.314186 2.983901 3.265628 2.673024 2.184806 3.433156 2.810816 3.843877 3.042366 2.749763 4.643481 5.047680 5.479826 5.162917 5.850946 0.000000 5.225971 6.206351 5.121619 5.461374 4.249409 2.798423 2.253970 1.095053 1.742409 2.150924 3.328733 4.362246 4.132088 5.115024 5.134325 4.375485 4.450545 4.814198 5.401245 2.778041 2.711647 2.897454 3.832073 2.967441 5.058658 6.060744 4.836822 5.299732 4.027362 0.000000 3.787337 4.288785 3.906939 4.589434 2.504480 2.442775 1.559780 2.458277 2.930877 2.432307 1.561075 2.552056 3.111109 3.426992 2.433431 1.558121 1.549860 2.183937 2.210924 3.844268 4.546629 4.218266 4.248721 3.417522 3.322529 3.870464 3.109387 4.209462 2.263152 3.440067 0.000000 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2.198749 4.413214 4.731838 4.308030 5.299396 5.799976 6.162696 5.138823 6.724313 6.186174 6.389580 5.653259 7.193787 3.995534 5.853512 3.419093 2.452850 2.894410 3.897646 2.743552 3.232463 1.769627 0.000000 2.637868 3.667679 2.431534 2.951684 2.165354 1.100153 2.166095 2.637262 3.724204 2.868047 3.098590 4.672067 5.073101 5.270090 5.143216 4.353242 2.785098 2.900241 3.837069 3.731660 4.368207 3.338656 4.496576 1.761631 3.451498 4.300737 3.824363 3.699564 3.208165 2.707111 2.839702 4.616858 5.222195 5.054436 6.215547 5.462910 5.360686 6.157233 0.000000 4.333719 5.029554 4.762600 4.685625 2.870043 2.173413 1.092325 2.177486 2.418629 3.291117 3.343377 4.215783 4.264769 5.239911 4.083220 2.698189 3.058947 3.967642 3.602509 4.657951 4.947873 4.970697 5.427463 2.451483 2.967417 3.883645 2.332460 3.449031 4.206820 2.772145 2.206858 2.447767 3.252468 2.802918 3.991384 4.003588 4.696572 4.760058 3.057605 0.000000 C15H25(1+) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 180.16049999999996 AuxInfo=1/0/N:1;5;6;7;8;10;11;12;15;16;17;20;25;31;33;2;3;4;9;13;14;18;19;21;22;23;24;26;27;28;29;30;32;34;35;36;37;38;39;40/rA:40nC0H0H0H0C0C0C0C0H0C0C0C0H0H0C0C0C0H0H0C0H0H0H0H0C0H0H0H0H0H0C0H0C0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.053,-1.241,1.2956;3.6093,-.5519,1.9366;2.4277,-1.8667,1.94;3.7814,-1.8898,.802;2.2139,-.4787,.2716;1.3631,-1.4254,-.5938;.2301,-.5511,-1.1352;-1.0604,-1.3285,-1.4144;-1.7363,-.7724,-2.0936;-1.7795,-1.353,-.1356;-1.3555,-.2593,.7116;-2.5426,.8089,.7237;-3.2101,.6797,-.1342;-3.1378,.7045,1.6308;-1.7666,2.1129,.5924;-.6619,1.7976,-.4162;1.1363,.4039,.9556;.8861,-.022,1.9334;1.5156,1.408,1.1537;-2.7764,-2.3562,.2262;-3.3374,-2.7233,-.6365;-2.1906,-3.2196,.5877;-3.4331,-2.0475,1.0395;1.9392,-1.9183,-1.3816;3.1415,.3623,-.6128;3.6951,1.088,-.0114;2.6014,.9192,-1.3828;3.872,-.2745,-1.119;-1.2178,-.5819,1.7503;-.9596,-2.3168,-1.875;-.1155,.4121,.0419;-1.1573,1.6317,-1.3855;.3403,2.9245,-.6112;1.1376,2.6472,-1.3039;-.1619,3.8002,-1.0285;.8013,3.2326,.33;-1.3295,2.3894,1.558;-2.4165,2.9307,.2708;.9483,-2.2208,.0431;.5542,.0009,-2.0203; 0.8193885 0.5571913 0.4127208 1 -586.311636469 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=1111111111111111111111111111111111111111 Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=1908187555. There are 123 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 120 vectors produced by pass 0 Test12= 1.67D-14 1.00D-09 XBig12= 1.12D+02 3.11D+00. AX will form 120 AO Fock derivatives at one time. 120 vectors produced by pass 1 Test12= 1.67D-14 1.00D-09 XBig12= 7.32D+00 2.67D-01. 120 vectors produced by pass 2 Test12= 1.67D-14 1.00D-09 XBig12= 4.39D-02 2.33D-02. 120 vectors produced by pass 3 Test12= 1.67D-14 1.00D-09 XBig12= 8.79D-05 5.88D-04. 120 vectors produced by pass 4 Test12= 1.67D-14 1.00D-09 XBig12= 1.18D-07 3.16D-05. 85 vectors produced by pass 5 Test12= 1.67D-14 1.00D-09 XBig12= 1.11D-10 7.79D-07. 4 vectors produced by pass 6 Test12= 1.67D-14 1.00D-09 XBig12= 9.94D-14 2.69D-08. 1 vectors produced by pass 7 Test12= 1.67D-14 1.00D-09 XBig12= 8.98D-17 1.02D-09. InvSVY: IOpt=1 It= 1 EMax= 1.07D-14 Solved reduced A of dimension 690 with 123 vectors. Isotropic polarizability for W= 0.000000 148.11 Bohr**3. End of Minotr F.D. properties file 721 does not exist. PT3237.300S 2026-04-23T07:52:03.000 -10.52674 -10.43225 -10.42825 -10.42822 -10.41710 -10.40072 -10.39575 -10.38239 -10.37758 -10.37141 -10.36550 -10.36018 -10.34704 -10.33407 -10.33249 -1.08690 -1.00422 -0.98805 -0.94170 -0.91512 -0.89030 -0.86416 -0.83435 -0.80928 -0.79929 -0.77853 -0.73352 -0.72694 -0.69570 -0.67620 -0.65947 -0.64771 -0.62475 -0.61821 -0.60912 -0.60187 -0.58884 -0.57762 -0.56755 -0.56421 -0.55223 -0.54116 -0.53009 -0.52136 -0.51362 -0.50615 -0.49941 -0.48988 -0.48736 -0.47931 -0.47348 -0.46966 -0.45062 -0.44713 -0.43847 -0.43746 -0.43330 -0.27228 -0.06631 -0.05062 -0.04095 -0.03862 -0.01954 -0.01197 -0.00257 0.00670 0.01245 0.01693 0.02269 0.03045 0.03645 0.04289 0.05042 0.05388 0.06166 0.06298 0.06909 0.07229 0.07732 0.08506 0.09009 0.09394 0.10080 0.10468 0.10726 0.11308 0.11670 0.12295 0.13546 0.14779 0.15369 0.15745 0.16385 0.16939 0.17798 0.18139 0.19902 0.22599 0.23110 0.25254 0.35087 0.36297 0.36826 0.38354 0.38825 0.39775 0.41070 0.41705 0.43415 0.44471 0.45362 0.46839 0.47304 0.48417 0.49221 0.50219 0.51485 0.52569 0.53626 0.54329 0.55324 0.56412 0.56754 0.58241 0.59478 0.60277 0.61378 0.62558 0.63370 0.64498 0.65355 0.66306 0.66581 0.67295 0.67753 0.69245 0.70804 0.71133 0.71671 0.71983 0.73198 0.73876 0.74691 0.75110 0.76271 0.77074 0.78069 0.78437 0.79691 0.79961 0.80088 0.80765 0.81401 0.82014 0.82605 0.83057 0.83768 0.84415 0.84952 0.86071 0.87010 0.87624 0.89510 0.90150 0.90388 0.91229 0.92547 0.95559 1.00115 1.01694 1.05059 1.07864 1.09631 1.13457 1.16570 1.22551 1.25415 1.26788 1.27899 1.31487 1.33593 1.34725 1.37086 1.38950 1.39135 1.40941 1.42565 1.44966 1.47134 1.51312 1.51955 1.55051 1.55856 1.57830 1.60485 1.62317 1.62986 1.63497 1.65657 1.67042 1.67420 1.69413 1.69817 1.70423 1.71751 1.72576 1.74190 1.74905 1.75489 1.76762 1.77303 1.79472 1.80597 1.82245 1.82420 1.83625 1.85096 1.85956 1.87416 1.88338 1.88841 1.89278 1.91813 1.93071 1.93937 1.94941 1.95673 1.96087 1.96515 1.96727 1.96891 1.98643 1.99777 2.00833 2.01119 2.02906 2.03113 2.03912 2.04825 2.05788 2.07825 2.08727 2.09156 2.10111 2.11719 2.12337 2.15016 2.15763 2.17647 2.19151 2.20041 2.21387 2.22898 2.24478 2.25059 2.25375 2.27585 2.28088 2.29702 2.31695 2.32627 2.33099 2.33955 2.36056 2.38347 2.38800 2.41296 2.42097 2.43593 2.45122 2.46018 2.47200 2.48920 2.50142 2.51707 2.52919 2.54007 2.55369 2.56414 2.57679 2.58846 2.59804 2.60879 2.62435 2.62801 2.64111 2.64339 2.66395 2.66961 2.67555 2.68562 2.70569 2.71506 2.72267 2.74439 2.75183 2.76760 2.77684 2.79711 2.80483 2.81248 2.82194 2.82533 2.85076 2.86281 2.87985 2.88563 2.91494 2.93142 2.94789 3.04779 3.10542 3.12221 3.13653 3.14448 3.16586 3.19811 3.19957 3.23780 3.25491 3.26929 3.28016 3.29900 3.31625 3.35275 3.36057 3.36419 3.37364 3.37889 3.38158 3.40202 3.41845 3.43613 3.44274 3.46952 4.07749 4.19412 4.24722 4.34718 4.35300 4.40750 4.44882 4.48756 4.53890 4.54691 4.58105 4.69463 4.71783 4.76582 4.86393 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 C H H H C C C C H C C C H H C C C H H C H H H H C H H H H H C H C H H H H H H H -0.382127 0.152337 0.123906 0.150542 -0.038285 -0.219860 -0.154561 -0.328626 0.233075 0.242274 -0.224657 -0.264425 0.164975 0.188226 -0.252824 -0.123465 -0.226779 0.131369 0.153834 -0.467422 0.220471 0.242019 0.213322 0.162762 -0.381239 0.152336 0.124431 0.151656 0.215339 0.215867 0.015174 0.126951 -0.399463 0.149873 0.161213 0.150096 0.165316 0.176996 0.109443 0.169928 1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 5 6 7 8 10 11 12 15 16 17 20 25 31 33 C C C C C C C C C C C C C C C 0.044657 -0.038285 0.052344 0.015367 0.120316 0.242274 -0.009317 0.088776 0.089488 0.003485 0.058424 0.208390 0.047185 0.015174 0.061719 1.00000 159.187 3.297 156.744 -3.058 3.334 128.396 201.706 2.681 218.200 -3.913 7.298 203.211 -6.6289 -0.0008 -0.0004 -0.0002 4.3234 9.3217 39.5324 66.6342 109.7076 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 39.4922 66.6317 109.7068 136.7127 155.0195 179.7372 201.1949 218.7906 238.1064 254.3830 262.0855 280.2205 298.5252 315.9836 328.8321 387.5936 399.8906 411.1137 433.4857 443.4299 477.9285 521.8196 547.4964 597.1937 654.7773 675.6946 680.3522 748.7554 797.1310 836.5522 840.2452 870.4958 896.7056 910.0461 926.4806 933.3526 942.5828 952.3945 959.2843 972.6916 978.3412 1001.1508 1007.3478 1012.9509 1031.7720 1045.6593 1058.8564 1079.4754 1097.4924 1109.8594 1137.1789 1166.1661 1173.2073 1195.6750 1214.0945 1217.0034 1231.4764 1241.3135 1250.8018 1270.2412 1284.1127 1289.7784 1299.3653 1310.2295 1329.0645 1335.6627 1354.8713 1358.8436 1365.4575 1374.0466 1379.1593 1392.3690 1397.1263 1421.0732 1432.0555 1435.6029 1441.1622 1449.8705 1492.8776 1494.6837 1497.1933 1498.7410 1508.7921 1509.7294 1512.7895 1514.0087 1521.8175 1524.6020 1525.2695 2986.0265 3016.9063 3019.2122 3029.3529 3064.6596 3072.4189 3076.5366 3082.4144 3084.8244 3088.7607 3090.8069 3119.7603 3126.0347 3129.2160 3137.1844 3145.4696 3149.5326 3150.2701 3154.6856 3155.7175 3159.0501 3164.7784 3169.9034 3178.1228 3202.7016 2.8221 2.8504 2.4271 2.6706 1.1537 2.2719 1.5734 1.7756 1.3383 1.3916 1.6186 1.4561 2.1607 2.3143 1.8616 2.4191 1.8152 1.7543 2.5977 2.6137 2.3967 2.9010 2.6161 2.8134 3.7527 3.1458 2.3036 2.5082 3.3978 1.8538 1.8894 2.2167 2.3215 1.8837 1.8592 1.9827 1.6309 1.7062 1.4140 1.5186 1.9875 1.8784 1.5538 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